SCHEMBL1123619

SCHEMBL1123619

Cc1ccc(C)c(-c2cc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.65
PTGS2 P35354 16/20 0.53
PTGS1 P23219 10/20 0.53
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
PDPK1 O15530 2/20 0.47
HDAC3 O15379 1/20 0.47
PDE5A O76074 1/20 0.47
ABCB11 O95342 1/20 0.47
MT-CO2 P00403 1/20 0.47
LMNA P02545 1/20 0.47
CA3 P07451 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADRB3 P13945 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1123783 0.81 PTGS2 (0.61) PTGESPTGS2PTGS1CA12CA1
Dimethyl Celecoxib SCHEMBL2228663 0.79 PTGES (1.00) PTGESPTGS2PTGS1CA12CA1
SCHEMBL1123595 0.77 KIF11 (0.51) PTGS2PTGS1CA12CA1CA2
SCHEMBL1123587 0.76 PTGS2 (0.53) PTGS2PTGS1CA12CA1CA2
SCHEMBL27468021 0.74 CA1 (0.52) PTGESPTGS2PTGS1CA12CA1
SCHEMBL7216291 0.74 PTGS2 (0.62) PTGS2PTGS1CA12CA1CA2
SCHEMBL1270876 0.74 PTGS2 (0.62) PTGS2PTGS1CA12CA1CA2
SCHEMBL1123613 0.73 PTGS2 (0.60) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6352145 0.69 PTGS2 (1.00) PTGESPTGS2PTGS1CA12CA1
SCHEMBL16025998 0.69 PTGES (0.83) PTGESPTGS2PTGS1CA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196915-A1 Antitumor 1,2-Diphenylpyrrole Compounds and their Preparation Process ARGON PHARMA, S.L. (ES) 2012-08-02 US claimed
EP-2459532-A1 ANTITUMOR 1,2-DIPHENYLPYRROLE COMPOUNDS AND THEIR PREPARATION PROCESS Argon Pharma S.L. (ES) 2012-06-06 EP claimed
EP-2284154-A1 Antitumor 1,2-diphenylpyrrole compounds and their preparation process Argon Pharma S.L. (ES) 2011-02-16 EP claimed
WO-2011012660-A1 ANTITUMOR 1,2-DIPHENYLPYRROLE COMPOUNDS AND THEIR PREPARATION PROCESS ARGON PHARMA, S. L. (ES) 2011-02-03 WO claimed
US-20120196915-A1 Antitumor 1,2-Diphenylpyrrole Compounds and their Preparation Process ARGON PHARMA, S.L. (ES) 2012-08-02 US disclosed
EP-2459532-A1 ANTITUMOR 1,2-DIPHENYLPYRROLE COMPOUNDS AND THEIR PREPARATION PROCESS Argon Pharma S.L. (ES) 2012-06-06 EP disclosed
EP-2284154-A1 Antitumor 1,2-diphenylpyrrole compounds and their preparation process Argon Pharma S.L. (ES) 2011-02-16 EP disclosed
WO-2011012660-A1 ANTITUMOR 1,2-DIPHENYLPYRROLE COMPOUNDS AND THEIR PREPARATION PROCESS ARGON PHARMA, S. L. (ES) 2011-02-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120196915-A1 Antitumor 1,2-Diphenylpyrrole Compounds and their Preparation Process H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPD52L2, CYC1 PTGES 3089/4885PTGS2 1289/4885PTGS1 1559/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.